Chemical ID: 6380300

CC1CCN(CC1)C(=O)C2CC=CCC2C(=O)O
Chemical ID:
6380300
Name [?]:
6-[(4-methyl-1-piperidyl)carbonyl]cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
CC1CCN(CC1)C(=O)C2CC=CCC2C(=O)O
InChi [?]:
InChI=1/C14H21NO3/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h2-3,10-12H,4-9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,3,7,4,6,2,10,15,8,16,5,9,17,18/E:(6,7)(8,9)(17,18)/rA:18cCCCCNCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;s10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.65985
Area:412.041
Solvation:-2.64117
Coulombic:-42.3218
Bond Count [?]
All:19
Single:16
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.46
LogP (Chemaxon):1.46

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